HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 5.442 -2.342 -0.644 0.00 0.00 C+0 HETATM 2 C UNK 0 5.217 -1.433 0.560 0.00 0.00 C+0 HETATM 3 O UNK 0 5.231 -0.083 0.072 0.00 0.00 O+0 HETATM 4 C UNK 0 5.065 0.911 1.085 0.00 0.00 C+0 HETATM 5 O UNK 0 3.755 0.933 1.652 0.00 0.00 O+0 HETATM 6 C UNK 0 2.641 0.835 0.735 0.00 0.00 C+0 HETATM 7 C UNK 0 2.754 1.775 -0.485 0.00 0.00 C+0 HETATM 8 O UNK 0 3.373 1.110 -1.605 0.00 0.00 O+0 HETATM 9 C UNK 0 1.367 2.307 -0.877 0.00 0.00 C+0 HETATM 10 O UNK 0 1.540 3.141 -2.029 0.00 0.00 O+0 HETATM 11 C UNK 0 0.971 2.572 -3.226 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.491 3.031 -3.391 0.00 0.00 C+0 HETATM 13 O UNK 0 -1.258 2.365 -2.379 0.00 0.00 O+0 HETATM 14 C UNK 0 -2.420 3.078 -1.956 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.624 2.752 -2.828 0.00 0.00 C+0 HETATM 16 S UNK 0 -4.304 1.154 -2.251 0.00 0.00 S+1 HETATM 17 O UNK 0 -5.894 1.411 -1.846 0.00 0.00 O-1 HETATM 18 C UNK 0 -3.326 1.183 -0.683 0.00 0.00 C+0 HETATM 19 C UNK 0 -4.168 0.656 0.489 0.00 0.00 C+0 HETATM 20 O UNK 0 -3.323 -0.033 1.445 0.00 0.00 O+0 HETATM 21 C UNK 0 -4.150 -0.239 2.611 0.00 0.00 C+0 HETATM 22 C UNK 0 -3.322 -0.271 3.895 0.00 0.00 C+0 HETATM 23 C UNK 0 -2.745 -1.651 4.215 0.00 0.00 C+0 HETATM 24 O UNK 0 -1.590 -1.953 3.407 0.00 0.00 O+0 HETATM 25 C UNK 0 -0.401 -1.508 3.880 0.00 0.00 C+0 HETATM 26 O UNK 0 -0.242 -0.652 4.735 0.00 0.00 O+0 HETATM 27 C UNK 0 0.713 -2.283 3.277 0.00 0.00 C+0 HETATM 28 C UNK 0 1.950 -2.274 3.938 0.00 0.00 C+0 HETATM 29 C UNK 0 3.021 -3.012 3.434 0.00 0.00 C+0 HETATM 30 C UNK 0 2.855 -3.743 2.262 0.00 0.00 C+0 HETATM 31 O UNK 0 3.890 -4.441 1.717 0.00 0.00 O+0 HETATM 32 C UNK 0 1.634 -3.763 1.597 0.00 0.00 C+0 HETATM 33 C UNK 0 0.558 -3.030 2.102 0.00 0.00 C+0 HETATM 34 C UNK 0 -3.789 -2.753 3.985 0.00 0.00 C+0 HETATM 35 C UNK 0 -3.219 -4.152 4.208 0.00 0.00 C+0 HETATM 36 C UNK 0 -4.351 -2.615 2.576 0.00 0.00 C+0 HETATM 37 O UNK 0 -5.008 -1.363 2.443 0.00 0.00 O+0 HETATM 38 C UNK 0 -5.074 0.982 2.594 0.00 0.00 C+0 HETATM 39 O UNK 0 -5.832 1.309 3.505 0.00 0.00 O+0 HETATM 40 C UNK 0 -4.924 1.730 1.289 0.00 0.00 C+0 HETATM 41 O UNK 0 -6.162 2.119 0.709 0.00 0.00 O+0 HETATM 42 C UNK 0 -4.097 2.998 1.550 0.00 0.00 C+0 HETATM 43 O UNK 0 -2.925 2.742 2.329 0.00 0.00 O+0 HETATM 44 C UNK 0 -3.654 3.586 0.213 0.00 0.00 C+0 HETATM 45 C UNK 0 -2.750 2.598 -0.539 0.00 0.00 C+0 HETATM 46 O UNK 0 -1.017 2.676 -4.665 0.00 0.00 O+0 HETATM 47 C UNK 0 -0.275 3.246 -5.750 0.00 0.00 C+0 HETATM 48 C UNK 0 -0.990 2.865 -7.042 0.00 0.00 C+0 HETATM 49 C UNK 0 1.173 2.740 -5.737 0.00 0.00 C+0 HETATM 50 O UNK 0 1.939 3.344 -6.782 0.00 0.00 O+0 HETATM 51 C UNK 0 1.825 3.067 -4.393 0.00 0.00 C+0 HETATM 52 O UNK 0 3.130 2.455 -4.362 0.00 0.00 O+0 HETATM 53 O UNK 0 0.822 3.121 0.163 0.00 0.00 O+0 HETATM 54 C UNK 0 0.907 2.563 1.492 0.00 0.00 C+0 HETATM 55 C UNK 0 1.821 3.478 2.317 0.00 0.00 C+0 HETATM 56 O UNK 0 1.305 4.810 2.291 0.00 0.00 O+0 HETATM 57 C UNK 0 1.346 1.091 1.543 0.00 0.00 C+0 HETATM 58 O UNK 0 0.297 0.277 0.988 0.00 0.00 O+0 HETATM 59 C UNK 0 6.120 0.782 2.206 0.00 0.00 C+0 HETATM 60 O UNK 0 7.454 1.049 1.730 0.00 0.00 O+0 HETATM 61 C UNK 0 6.114 -0.638 2.767 0.00 0.00 C+0 HETATM 62 O UNK 0 7.199 -0.816 3.695 0.00 0.00 O+0 HETATM 63 C UNK 0 6.270 -1.674 1.649 0.00 0.00 C+0 HETATM 64 O UNK 0 6.142 -2.987 2.224 0.00 0.00 O+0 HETATM 65 H UNK 0 5.419 -3.400 -0.367 0.00 0.00 H+0 HETATM 66 H UNK 0 6.404 -2.127 -1.120 0.00 0.00 H+0 HETATM 67 H UNK 0 4.671 -2.166 -1.401 0.00 0.00 H+0 HETATM 68 H UNK 0 4.221 -1.650 0.955 0.00 0.00 H+0 HETATM 69 H UNK 0 5.240 1.875 0.595 0.00 0.00 H+0 HETATM 70 H UNK 0 2.613 -0.202 0.380 0.00 0.00 H+0 HETATM 71 H UNK 0 3.395 2.633 -0.253 0.00 0.00 H+0 HETATM 72 H UNK 0 4.116 0.569 -1.261 0.00 0.00 H+0 HETATM 73 H UNK 0 0.677 1.485 -1.094 0.00 0.00 H+0 HETATM 74 H UNK 0 1.037 1.476 -3.190 0.00 0.00 H+0 HETATM 75 H UNK 0 -0.549 4.118 -3.251 0.00 0.00 H+0 HETATM 76 H UNK 0 -2.214 4.155 -1.953 0.00 0.00 H+0 HETATM 77 H UNK 0 -3.391 2.651 -3.889 0.00 0.00 H+0 HETATM 78 H UNK 0 -4.411 3.502 -2.708 0.00 0.00 H+0 HETATM 79 H UNK 0 -2.498 0.488 -0.871 0.00 0.00 H+0 HETATM 80 H UNK 0 -4.871 -0.102 0.114 0.00 0.00 H+0 HETATM 81 H UNK 0 -3.965 0.003 4.741 0.00 0.00 H+0 HETATM 82 H UNK 0 -2.521 0.474 3.840 0.00 0.00 H+0 HETATM 83 H UNK 0 -2.449 -1.679 5.273 0.00 0.00 H+0 HETATM 84 H UNK 0 2.077 -1.707 4.859 0.00 0.00 H+0 HETATM 85 H UNK 0 3.968 -3.015 3.963 0.00 0.00 H+0 HETATM 86 H UNK 0 4.736 -4.074 2.057 0.00 0.00 H+0 HETATM 87 H UNK 0 1.523 -4.340 0.683 0.00 0.00 H+0 HETATM 88 H UNK 0 -0.389 -3.044 1.568 0.00 0.00 H+0 HETATM 89 H UNK 0 -4.605 -2.592 4.702 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.446 -4.402 3.473 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.778 -4.237 5.207 0.00 0.00 H+0 HETATM 92 H UNK 0 -4.010 -4.906 4.126 0.00 0.00 H+0 HETATM 93 H UNK 0 -5.100 -3.393 2.392 0.00 0.00 H+0 HETATM 94 H UNK 0 -3.581 -2.717 1.802 0.00 0.00 H+0 HETATM 95 H UNK 0 -6.303 1.654 -0.146 0.00 0.00 H+0 HETATM 96 H UNK 0 -4.706 3.735 2.089 0.00 0.00 H+0 HETATM 97 H UNK 0 -2.628 3.601 2.684 0.00 0.00 H+0 HETATM 98 H UNK 0 -3.084 4.508 0.390 0.00 0.00 H+0 HETATM 99 H UNK 0 -4.529 3.864 -0.384 0.00 0.00 H+0 HETATM 100 H UNK 0 -1.818 2.509 0.032 0.00 0.00 H+0 HETATM 101 H UNK 0 -0.299 4.340 -5.666 0.00 0.00 H+0 HETATM 102 H UNK 0 -0.504 3.303 -7.918 0.00 0.00 H+0 HETATM 103 H UNK 0 -2.031 3.207 -7.015 0.00 0.00 H+0 HETATM 104 H UNK 0 -1.022 1.777 -7.165 0.00 0.00 H+0 HETATM 105 H UNK 0 1.200 1.655 -5.899 0.00 0.00 H+0 HETATM 106 H UNK 0 2.866 3.090 -6.595 0.00 0.00 H+0 HETATM 107 H UNK 0 2.005 4.146 -4.308 0.00 0.00 H+0 HETATM 108 H UNK 0 3.336 2.275 -3.419 0.00 0.00 H+0 HETATM 109 H UNK 0 -0.109 2.651 1.894 0.00 0.00 H+0 HETATM 110 H UNK 0 1.875 3.152 3.359 0.00 0.00 H+0 HETATM 111 H UNK 0 2.833 3.523 1.907 0.00 0.00 H+0 HETATM 112 H UNK 0 1.081 4.989 1.356 0.00 0.00 H+0 HETATM 113 H UNK 0 1.475 0.773 2.583 0.00 0.00 H+0 HETATM 114 H UNK 0 -0.519 0.437 1.503 0.00 0.00 H+0 HETATM 115 H UNK 0 5.922 1.495 3.015 0.00 0.00 H+0 HETATM 116 H UNK 0 7.462 1.950 1.356 0.00 0.00 H+0 HETATM 117 H UNK 0 5.191 -0.826 3.326 0.00 0.00 H+0 HETATM 118 H UNK 0 7.946 -0.305 3.317 0.00 0.00 H+0 HETATM 119 H UNK 0 7.280 -1.610 1.224 0.00 0.00 H+0 HETATM 120 H UNK 0 6.779 -2.984 2.971 0.00 0.00 H+0 CONECT 1 2 65 66 67 CONECT 2 1 63 3 68 CONECT 3 2 4 CONECT 4 3 59 5 69 CONECT 5 6 4 CONECT 6 7 57 5 70 CONECT 7 9 6 8 71 CONECT 8 7 72 CONECT 9 7 53 10 73 CONECT 10 11 9 CONECT 11 12 51 10 74 CONECT 12 11 46 13 75 CONECT 13 14 12 CONECT 14 45 15 13 76 CONECT 15 14 16 77 78 CONECT 16 18 17 15 CONECT 17 16 CONECT 18 19 45 16 79 CONECT 19 18 40 80 20 CONECT 20 21 19 CONECT 21 37 22 38 20 CONECT 22 21 23 81 82 CONECT 23 34 22 24 83 CONECT 24 23 25 CONECT 25 24 27 26 CONECT 26 25 CONECT 27 25 28 33 CONECT 28 27 29 84 CONECT 29 28 30 85 CONECT 30 29 32 31 CONECT 31 30 86 CONECT 32 30 33 87 CONECT 33 32 27 88 CONECT 34 36 23 35 89 CONECT 35 34 90 91 92 CONECT 36 37 34 93 94 CONECT 37 21 36 CONECT 38 21 40 39 CONECT 39 38 CONECT 40 42 19 38 41 CONECT 41 40 95 CONECT 42 44 40 43 96 CONECT 43 42 97 CONECT 44 45 42 98 99 CONECT 45 44 18 14 100 CONECT 46 47 12 CONECT 47 49 46 48 101 CONECT 48 47 102 103 104 CONECT 49 51 47 50 105 CONECT 50 49 106 CONECT 51 11 49 52 107 CONECT 52 51 108 CONECT 53 54 9 CONECT 54 57 53 55 109 CONECT 55 56 54 110 111 CONECT 56 55 112 CONECT 57 6 54 58 113 CONECT 58 57 114 CONECT 59 61 4 60 115 CONECT 60 59 116 CONECT 61 62 59 63 117 CONECT 62 61 118 CONECT 63 64 61 2 119 CONECT 64 63 120 CONECT 65 1 CONECT 66 1 CONECT 67 1 CONECT 68 2 CONECT 69 4 CONECT 70 6 CONECT 71 7 CONECT 72 8 CONECT 73 9 CONECT 74 11 CONECT 75 12 CONECT 76 14 CONECT 77 15 CONECT 78 15 CONECT 79 18 CONECT 80 19 CONECT 81 22 CONECT 82 22 CONECT 83 23 CONECT 84 28 CONECT 85 29 CONECT 86 31 CONECT 87 32 CONECT 88 33 CONECT 89 34 CONECT 90 35 CONECT 91 35 CONECT 92 35 CONECT 93 36 CONECT 94 36 CONECT 95 41 CONECT 96 42 CONECT 97 43 CONECT 98 44 CONECT 99 44 CONECT 100 45 CONECT 101 47 CONECT 102 48 CONECT 103 48 CONECT 104 48 CONECT 105 49 CONECT 106 50 CONECT 107 51 CONECT 108 52 CONECT 109 54 CONECT 110 55 CONECT 111 55 CONECT 112 56 CONECT 113 57 CONECT 114 58 CONECT 115 59 CONECT 116 60 CONECT 117 61 CONECT 118 62 CONECT 119 63 CONECT 120 64 MASTER 0 0 0 0 0 0 0 0 120 0 254 0 END